Glycoside
GD034923
Name:
NoneFormula:
C44H58O17SSmiles:
CSC1=CC2=C(C(=O)c3ccc([C@@H]4C[C@H](O)[C@H](O[C@@H]5CC[C@H](O[C@@H]6C[C@H](O)[C@H](O)[C@H](C)O6)[C@H](C)O5)[C@H](C)O4)c(O)c3C2=O)[C@]2(O[C@@H]3CC[C@H](O)[C@H](C)O3)C(=O)C[C@@](C)(O)C[C@]12OAglycone:
CSC1=CC2=C(C(=O)c3ccc(C4CC(O)C(OC5CCC(O)C(C)O5)C(C)O4)c(O)c3C2=O)C2(OC3CCC(O)C(C)O3)C(=O)CC(C)(O)CC12OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.7 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 891.0 | Num_heavy_atoms: | 62 |
| TPSA: | 257.43 | NumAromaticRings: | 1 |
Unique Aglycone
AD22139
Formula: C38H48O14S
Smiles:
CSC1=CC2=C(C(=O)c3ccc(C4CC(O)C(OC5CCC(O)C(C)O5)C(C)O4)c(O)c3C2=O)C2(OC3CCC(O)C(C)O3)C(=O)CC(C)(O)CC12O| HBA: | 14 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.66 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 760.86 | Num_heavy_atoms: | 53 |
| TPSA: | 218.74 | NumAromaticRings: | 1 |
